4GGL
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![BU of 4ggl by Molmil](/molmil-images/mine/4ggl) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity | Descriptor: | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, DNA gyrase subunit B, GLYCEROL | Authors: | Bensen, D.C, Creighton, C.J, Tari, L.W. | Deposit date: | 2012-08-06 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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6J65
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![BU of 6j65 by Molmil](/molmil-images/mine/6j65) | Crystal structure of human HINT1 mutant complexing with AP4A II | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2019-01-14 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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6JBT
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![BU of 6jbt by Molmil](/molmil-images/mine/6jbt) | Complex structure of toripalimab-Fab and PD-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, ... | Authors: | Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J. | Deposit date: | 2019-01-26 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy. Mabs, 11, 2019
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4LK2
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![BU of 4lk2 by Molmil](/molmil-images/mine/4lk2) | Crystal structure of RNA splicing effector Prp5 | Descriptor: | NICKEL (II) ION, Pre-mRNA-processing ATP-dependent RNA helicase PRP5 | Authors: | Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J. | Deposit date: | 2013-07-05 | Release date: | 2013-12-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly. Cell Rep, 5, 2013
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8FW5
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![BU of 8fw5 by Molmil](/molmil-images/mine/8fw5) | Chimeric HsGATOR1-SpGtr-SpLam complex | Descriptor: | ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ... | Authors: | Tettoni, S.D, Egri, S.B, Doxsey, D.D, Ouch, C, Chang, J, Song, K, Xu, C, Shen, K. | Deposit date: | 2023-01-20 | Release date: | 2023-07-26 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Structure of the Schizosaccharomyces pombe Gtr-Lam complex reveals evolutionary divergence of mTORC1-dependent amino acid sensing. Structure, 31, 2023
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7K99
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![BU of 7k99 by Molmil](/molmil-images/mine/7k99) | Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor 19 | Descriptor: | (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol, GLYCEROL, SULFATE ION, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2020-09-28 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay. Bioorg.Med.Chem., 28, 2020
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8WQC
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![BU of 8wqc by Molmil](/molmil-images/mine/8wqc) | cryo-EM structure of neddylated CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CDK5R1 | Descriptor: | Cullin-2, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ... | Authors: | Chen, X, Zhang, K, Xu, C. | Deposit date: | 2023-10-11 | Release date: | 2024-04-03 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase. Nat Commun, 15, 2024
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8WQE
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![BU of 8wqe by Molmil](/molmil-images/mine/8wqe) | Cryo-EM structure of CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CUX1 (conformation 1) | Descriptor: | Cullin-2, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ... | Authors: | Chen, X, Zhang, K, Xu, C. | Deposit date: | 2023-10-11 | Release date: | 2024-04-03 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase. Nat Commun, 15, 2024
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4LNP
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![BU of 4lnp by Molmil](/molmil-images/mine/4lnp) | The first SH3 domain from CAP/Ponsin in complex with proline rich peptide from Vinculin | Descriptor: | Sorbin and SH3 domain-containing protein 1, Vinculin | Authors: | Zhao, D, Li, F, Wu, J, Shi, Y, Zhang, Z, Gong, Q. | Deposit date: | 2013-07-11 | Release date: | 2014-05-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin J.Struct.Biol., 187, 2014
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8WQD
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![BU of 8wqd by Molmil](/molmil-images/mine/8wqd) | |
8WQA
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![BU of 8wqa by Molmil](/molmil-images/mine/8wqa) | Cryo-EM structure of CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CCDC89 (conformation 1) | Descriptor: | Coiled-coil domain-containing protein 89, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | Authors: | Chen, X, Zhang, K, Xu, C. | Deposit date: | 2023-10-11 | Release date: | 2024-04-03 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase. Nat Commun, 15, 2024
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6VOV
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![BU of 6vov by Molmil](/molmil-images/mine/6vov) | Crystal structure of Syk in complex with GS-9876 | Descriptor: | 6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine, Tyrosine-protein kinase SYK | Authors: | Lansdon, E.B. | Deposit date: | 2020-01-31 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases. Acs Med.Chem.Lett., 11, 2020
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7FAH
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![BU of 7fah by Molmil](/molmil-images/mine/7fah) | Immune complex of head region of CA09 HA and neutralizing antibody 12H5 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Li, T.T, Xue, W.H, Gu, Y, Li, S.W. | Deposit date: | 2021-07-06 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.151 Å) | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses. Nat Commun, 13, 2022
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8WUL
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![BU of 8wul by Molmil](/molmil-images/mine/8wul) | Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) | Descriptor: | Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen, ... | Authors: | Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S. | Deposit date: | 2023-10-20 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen. Commun Biol, 7, 2024
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8WTE
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![BU of 8wte by Molmil](/molmil-images/mine/8wte) | Crystal structure of TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) | Descriptor: | Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen (Fragment), ... | Authors: | Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S. | Deposit date: | 2023-10-18 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen. Commun Biol, 7, 2024
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6C0B
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![BU of 6c0b by Molmil](/molmil-images/mine/6c0b) | Structural basis for recognition of frizzled proteins by Clostridium difficile toxin B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-2, MALONATE ION, ... | Authors: | Chen, P, Lam, K, Jin, R. | Deposit date: | 2017-12-28 | Release date: | 2018-05-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for recognition of frizzled proteins byClostridium difficiletoxin B. Science, 360, 2018
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7K88
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![BU of 7k88 by Molmil](/molmil-images/mine/7k88) | Crystal structure of bovine RPE65 in complex with hexaethylene glycol monooctyl ether | Descriptor: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol, FE (II) ION, Retinoid isomerohydrolase, ... | Authors: | Kiser, P.D. | Deposit date: | 2020-09-26 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy. J.Med.Chem., 64, 2021
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7K8G
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![BU of 7k8g by Molmil](/molmil-images/mine/7k8g) | Crystal structure of bovine RPE65 in complex with 4-fluoro-MB-004 and palmitate | Descriptor: | (1R)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol, FE (II) ION, PALMITIC ACID, ... | Authors: | Kiser, P.D. | Deposit date: | 2020-09-27 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy. J.Med.Chem., 64, 2021
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7K89
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![BU of 7k89 by Molmil](/molmil-images/mine/7k89) | |
4LJY
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![BU of 4ljy by Molmil](/molmil-images/mine/4ljy) | Crystal structure of RNA splicing effector Prp5 in complex with ADP | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J. | Deposit date: | 2013-07-05 | Release date: | 2013-12-11 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly. Cell Rep, 5, 2013
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4WT8
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![BU of 4wt8 by Molmil](/molmil-images/mine/4wt8) | Crystal Structure of bactobolin A bound to 70S ribosome-tRNA complex | Descriptor: | 23S rRNA (2899-MER), 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Amunts, A, Fiedorczuk, K, Ramakrishnan, V. | Deposit date: | 2014-10-29 | Release date: | 2015-01-21 | Last modified: | 2018-07-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Bactobolin A Binds to a Site on the 70S Ribosome Distinct from Previously Seen Antibiotics. J.Mol.Biol., 427, 2015
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3KU0
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![BU of 3ku0 by Molmil](/molmil-images/mine/3ku0) | Structure of GAP31 with adenine at its binding pocket | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein gelonin | Authors: | Kong, X.-P. | Deposit date: | 2009-11-26 | Release date: | 2010-01-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions. Biochem.Biophys.Res.Commun., 391, 2010
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4LN2
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![BU of 4ln2 by Molmil](/molmil-images/mine/4ln2) | The second SH3 domain from CAP/Ponsin in complex with proline rich peptide from Vinculin | Descriptor: | Sorbin and SH3 domain-containing protein 1, proline rich peptide | Authors: | Zhao, D, Li, F, Wu, J, Shi, Y, Zhang, Z, Gong, Q. | Deposit date: | 2013-07-11 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin J.Struct.Biol., 187, 2014
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3SRR
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![BU of 3srr by Molmil](/molmil-images/mine/3srr) | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | Descriptor: | 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hilgers, M. | Deposit date: | 2011-07-07 | Release date: | 2011-08-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
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5YZ3
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![BU of 5yz3 by Molmil](/molmil-images/mine/5yz3) | Crystal structure of T2R-TTL-28 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2017-12-12 | Release date: | 2018-10-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors. Cancer Res., 78, 2018
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